SCHEMBL3678614

SCHEMBL3678614

Cc1ccc(N=CNc2ccc(C)cc2C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
ADRA2A P08913 1/20 0.51
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
RAPGEF4 Q8WZA2 2/20 0.43
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
MPI P34949 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 4/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3678612 1.00 CYP3A4 (0.51) CYP3A4ADRA2AALDH1A1KDM4EHTT
SCHEMBL4581102 0.81 CYP3A4 (0.58) CYP3A4ADRA2AALDH1A1KDM4EHTT
SCHEMBL11185036 0.79 RAPGEF4 (0.47) ALDH1A1HTTRAPGEF4HPGDMEN1
SCHEMBL6067530 0.79 CYP3A4 (0.56) CYP3A4ADRA2AALDH1A1KDM4EHTT
SCHEMBL11454683 0.79 CYP3A4 (0.56) CYP3A4ADRA2AALDH1A1KDM4EHTT
SCHEMBL11190079 0.79 RAPGEF4 (0.47) ALDH1A1HTTRAPGEF4HPGDMEN1
SCHEMBL29392382 0.79 RAPGEF4 (0.47) ALDH1A1HTTRAPGEF4HPGDMEN1
Hydrochloric Acid SCHEMBL11533363 0.78 CYP3A4 (0.55) CYP3A4ADRA2AALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL29908518 0.78 RAPGEF4 (0.46) ALDH1A1HTTRAPGEF4HPGDMEN1
SCHEMBL8746896 0.75 CYP3A4 (0.51) CYP3A4ADRA2AALDH1A1KDM4EHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173728-B2 Multi-cavity container having offset indentures for dispensing fluids MERIAL INC. (US) 2015-11-03 US disclosed
US-8921408-B2 Compositions comprising an aryl pyrazole and/or a formamidine, methods and uses thereof MERIAL LIMITED (US) 2014-12-30 US disclosed
US-20140228785-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND/OR A FORMAMIDINE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2014-08-14 US disclosed
US-20130256170-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND/OR A FORMAMIDINE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2013-10-03 US disclosed
US-8450357-B2 Compositions comprising an aryl pyrazole and/or a formamidine, methods and uses thereof MERIAL LIMITED (US) 2013-05-28 US disclosed
US-20100125097-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND/OR A FORMAMIDINE, METHODS AND USES THEREOF MERIAL, INC. 2010-05-20 US disclosed
EP-0640591-B1 Azomethine derivatives as UV light absorbers ORIENT CHEMICAL IND (JP) 2000-11-02 EP disclosed
US-5523027-A AZOMETHINE COMPOUNDS; LIGHT RESISTANCE ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-04 US disclosed
EP-0640591-A1 Azomethine derivatives as UV light absorbers ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130256170-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND/OR A FORMAMIDINE, METHODS AND USES THEREOF TYR, CAT, NAT1 CYP3A4 37/4885ADRA2A 3113/4885ALDH1A1 766/4885
US-20100125097-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND/OR A FORMAMIDINE, METHODS AND USES THEREOF TYR, CAT, NAT1 CYP3A4 37/4885ADRA2A 3113/4885ALDH1A1 766/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.